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464194-35-2 | (1,2,3,6-tetrahydropyridin-4-yl)phosphonic acid
CAS No: 464194-35-2 Catalog No: AG01B4Y7 MDL No:MFCD20688966
Product Description
Catalog Number:
AG01B4Y7
Chemical Name:
(1,2,3,6-tetrahydropyridin-4-yl)phosphonic acid
CAS Number:
464194-35-2
Molecular Formula:
C5H10NO3P
Molecular Weight:
163.1116
MDL Number:
MFCD20688966
IUPAC Name:
1,2,3,6-tetrahydropyridin-4-ylphosphonic acid
InChI:
InChI=1S/C5H10NO3P/c7-10(8,9)5-1-3-6-4-2-5/h1,6H,2-4H2,(H2,7,8,9)
InChI Key:
PVBAAPJRPYOJSH-UHFFFAOYSA-N
SMILES:
OP(=O)(C1=CCNCC1)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
163.113g/mol
Monoisotopic Mass:
163.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4
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